Publications by authors named "Albert Ardevol"

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Enhancing PET Degrading Enzymes: A Combinatory Approach.
Yvonne Joho, Santana Royan, Alessandro T Caputo, Sophia Newton, Thomas S Peat, Albert Ardevol

Chembiochem· May 2024

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Improving plastic degrading enzymes via directed evolution.
Yvonne Joho, Vanessa Vongsouthi, Chloe Gomez, Joachim S Larsen, Albert Ardevol

Protein Eng Des Sel· January 2024

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Control of Substrate Conformation by Hydrogen Bonding in a Retaining β-Endoglycosidase.
Alba Nin-Hill, Albert Ardevol, Xevi Biarnés, Antoni Planas, Carme Rovira

Chemistry· December 2023

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Ancestral Sequence Reconstruction Identifies Structural Changes Underlying the Evolution of PETase and Variants with Improved Stability and Activity.
Yvonne Joho, Vanessa Vongsouthi, Matthew A Spence, Jennifer Ton, Chloe Gomez, Albert Ardevol

Biochemistry· January 2023

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Structure-guided selection of puromycin N-acetyltransferase mutants with enhanced selection stringency for deriving mammalian cell lines expressing recombinant proteins.
Alessandro T Caputo, Oliver M Eder, Hana Bereznakova, Heleen Pothuis, Albert Ardevol

Sci Rep· March 2021

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Retinal isomerization and water-pore formation in channelrhodopsin-2.
Albert Ardevol, Gerhard Hummer

Proc Natl Acad Sci U S A· April 2018

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The interaction with gold suppresses fiber-like conformations of the amyloid β (16-22) peptide.
Luca Bellucci, Albert Ardèvol, Michele Parrinello, Helmut Lutz, Hao Lu

Nanoscale· April 2016

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The reaction mechanism of retaining glycosyltransferases.
Albert Ardèvol, Javier Iglesias-Fernández, Víctor Rojas-Cervellera, Carme Rovira

Biochem Soc Trans· February 2016

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General Protein Data Bank-Based Collective Variables for Protein Folding.
Albert Ardevol, Ferruccio Palazzesi, Gareth A Tribello, Michele Parrinello

J Chem Theory Comput· January 2016

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Direct observation of ultrafast collective motions in CO myoglobin upon ligand dissociation.
Thomas R M Barends, Lutz Foucar, Albert Ardevol, Karol Nass, Andrew Aquila

Science· October 2015

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Reaction Mechanisms in Carbohydrate-Active Enzymes: Glycoside Hydrolases and Glycosyltransferases. Insights from ab Initio Quantum Mechanics/Molecular Mechanics Dynamic Simulations.
Albert Ardèvol, Carme Rovira

J Am Chem Soc· June 2015

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Probing the Unfolded Configurations of a β-Hairpin Using Sketch-Map.
Albert Ardevol, Gareth A Tribello, Michele Ceriotti, Michele Parrinello

J Chem Theory Comput· March 2015

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The complete conformational free energy landscape of β-xylose reveals a two-fold catalytic itinerary for β-xylanases.
Javier Iglesias-Fernández, Lluís Raich, Albert Ardèvol, Carme Rovira

Chem Sci· February 2015

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Molecular mechanism of a hotdog-fold acyl-CoA thioesterase.
David C Cantu, Albert Ardèvol, Carme Rovira, Peter J Reilly

Chemistry· July 2014

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Structures of the substrate-free and product-bound forms of HmuO, a heme oxygenase from corynebacterium diphtheriae: x-ray crystallography and molecular dynamics investigation.
Masaki Unno, Albert Ardèvol, Carme Rovira, Masao Ikeda-Saito

J Biol Chem· November 2013

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Formation of a covalent glycosyl-enzyme species in a retaining glycosyltransferase.
Víctor Rojas-Cervellera, Albert Ardèvol, Mauro Boero, Antoni Planas, Carme Rovira

Chemistry· October 2013

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The reaction coordinate of a bacterial GH47 α-mannosidase: a combined quantum mechanical and structural approach.
Andrew J Thompson, Jerome Dabin, Javier Iglesias-Fernández, Albert Ardèvol, Zoran Dinev

Angew Chem Int Ed Engl· October 2012

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Retinaldehyde is a substrate for human aldo-keto reductases of the 1C subfamily.
F Xavier Ruiz, Sergio Porté, Oriol Gallego, Armando Moro, Albert Ardèvol

Biochem J· December 2011

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Catalytic itinerary in 1,3-1,4-β-glucanase unraveled by QM/MM metadynamics. Charge is not yet fully developed at the oxocarbenium ion-like transition state.
Xevi Biarnés, Albert Ardèvol, Javier Iglesias-Fernández, Antoni Planas, Carme Rovira

J Am Chem Soc· December 2011

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The molecular mechanism of enzymatic glycosyl transfer with retention of configuration: evidence for a short-lived oxocarbenium-like species.
Albert Ardèvol, Carme Rovira

Angew Chem Int Ed Engl· November 2011

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Human and rodent aldo-keto reductases from the AKR1B subfamily and their specificity with retinaldehyde.
F Xavier Ruiz, Armando Moro, Oriol Gallego, Albert Ardèvol, Carme Rovira

Chem Biol Interact· May 2011

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The conformational free-energy landscape of β-D-mannopyranose: evidence for a (1)S(5) → B(2,5) → (O)S(2) catalytic itinerary in β-mannosidases.
Albert Ardèvol, Xevi Biarnés, Antoni Planas, Carme Rovira

J Am Chem Soc· November 2010

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Molecular mechanism of the glycosylation step catalyzed by Golgi alpha-mannosidase II: a QM/MM metadynamics investigation.
Luis Petersen, Albert Ardèvol, Carme Rovira, Peter J Reilly

J Am Chem Soc· June 2010

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Analysis of the reaction coordinate of alpha-L-fucosidases: a combined structural and quantum mechanical approach.
Alicia Lammerts van Bueren, Albert Ardèvol, Jennifer Fayers-Kerr, Bo Luo, Yongmin Zhang

J Am Chem Soc· February 2010

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Mechanism of cellulose hydrolysis by inverting GH8 endoglucanases: a QM/MM metadynamics study.
Luis Petersen, Albert Ardèvol, Carme Rovira, Peter J Reilly

J Phys Chem B· May 2009

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